Trifluoromethyl cation

• Formula: CF₃⁺
• Molecular weight: 69.0054
• IUPAC Standard InChI: InChI=1S/CF3/c2-1(3)4/q+1 Copy

  
• IUPAC Standard InChIKey: VRLAJHMZTGBAOE-UHFFFAOYSA-N Copy
• CAS Registry Number: 18851-76-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2N₂) + N₂ = (CF₃⁺ • 3N₂)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3N₂) + N₂ = (CF₃⁺ • 4N₂)

( • 4) +  = ( • 5)

By formula: (CF₃⁺ • 4N₂) + N₂ = (CF₃⁺ • 5N₂)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • N₂) + N₂ = (CF₃⁺ • 2N₂)

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2CO) + CO = (CF₃⁺ • 3CO)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3CO) + CO = (CF₃⁺ • 4CO)

( • 4) +  = ( • 5)

By formula: (CF₃⁺ • 4CO) + CO = (CF₃⁺ • 5CO)

( • 5) +  = ( • 6)

By formula: (CF₃⁺ • 5CO) + CO = (CF₃⁺ • 6CO)

( • 6) +  = ( • 7)

By formula: (CF₃⁺ • 6CO) + CO = (CF₃⁺ • 7CO)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • CO) + CO = (CF₃⁺ • 2CO)

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2CF₄) + CF₄ = (CF₃⁺ • 3CF₄)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3CF₄) + CF₄ = (CF₃⁺ • 4CF₄)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • CF₄) + CF₄ = (CF₃⁺ • 2CF₄)

 +  = ( • )

By formula: CF₃⁺ + N₂ = (CF₃⁺ • N₂)

 +  = ( • )

By formula: CF₃⁺ + H₂O = (CF₃⁺ • H₂O)

 +  = ( • )

By formula: CF₃⁺ + CO = (CF₃⁺ • CO)

 +  = ( • )

By formula: CF₃⁺ + CH₄ = (CF₃⁺ • CH₄)

 +  = ( • )

By formula: CF₃⁺ + CF₄ = (CF₃⁺ • CF₄)

Ion clustering data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: CF₃⁺ + CF₄ = (CF₃⁺ • CF₄)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • CF₄) + CF₄ = (CF₃⁺ • 2CF₄)

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2CF₄) + CF₄ = (CF₃⁺ • 3CF₄)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3CF₄) + CF₄ = (CF₃⁺ • 4CF₄)

 +  = ( • )

By formula: CF₃⁺ + CH₄ = (CF₃⁺ • CH₄)

 +  = ( • )

By formula: CF₃⁺ + CO = (CF₃⁺ • CO)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • CO) + CO = (CF₃⁺ • 2CO)

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2CO) + CO = (CF₃⁺ • 3CO)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3CO) + CO = (CF₃⁺ • 4CO)

( • 4) +  = ( • 5)

By formula: (CF₃⁺ • 4CO) + CO = (CF₃⁺ • 5CO)

( • 5) +  = ( • 6)

By formula: (CF₃⁺ • 5CO) + CO = (CF₃⁺ • 6CO)

( • 6) +  = ( • 7)

By formula: (CF₃⁺ • 6CO) + CO = (CF₃⁺ • 7CO)

 +  = ( • )

By formula: CF₃⁺ + H₂O = (CF₃⁺ • H₂O)

 +  = ( • )

By formula: CF₃⁺ + N₂ = (CF₃⁺ • N₂)

( • ) +  = ( • 2)

By formula: (CF₃⁺ • N₂) + N₂ = (CF₃⁺ • 2N₂)

( • 2) +  = ( • 3)

By formula: (CF₃⁺ • 2N₂) + N₂ = (CF₃⁺ • 3N₂)

( • 3) +  = ( • 4)

By formula: (CF₃⁺ • 3N₂) + N₂ = (CF₃⁺ • 4N₂)

( • 4) +  = ( • 5)

By formula: (CF₃⁺ • 4N₂) + N₂ = (CF₃⁺ • 5N₂)

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1994, page 210; Jacox, 1998, page 258

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hiraoka, Nasu, et al., 1996
Hiraoka, K.; Nasu, M.; Fujimaki, S.; Ignacio, E.W.; Yamabe, S., Gas-Phase Stability and Structure of the Cluster Ions CF3+(CO)n, CF3+(N2)n, CF3+((CF4)n, and CF4H+(CF4)n, J. Phys. Chem., 1996, 100, 13, 5245, https://doi.org/10.1021/jp9530010 . [all data]

Bennet and Field, 1972
Bennet, S.L.; Field, F.H., Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures, J. Am. Chem. Soc., 1972, 94, 18, 6305, https://doi.org/10.1021/ja00773a009 . [all data]

Dossmann (Soldi-Lose), Garcia, et al., 2012
Dossmann (Soldi-Lose), H.; Garcia, G.A.; Nahon, L.; de Miranda, B.K.C.; Alcaraz, C., Comprehensive vacuum ultraviolet photoionization study of the CF3• trifluoromethyl radical using synchrotron radiation, J. Chem. Phys., 2012, 136, 20, 204304, https://doi.org/10.1063/1.4719529 . [all data]

Forney, Jacox, et al., 1994
Forney, D.; Jacox, M.E.; Irikura, K.K., Matrix isolation study of the interaction of excited neon atoms with CF4. Infrared spectra of CF+3 and CF-3, J. Chem. Phys., 1994, 101, 10, 8290, https://doi.org/10.1063/1.468094 . [all data]

Andrews, 1989
Andrews, L., Chemistry and Physics of Matrix-Isolated Species, L. Andrews and M. Moskovits, Eds., Elsevier, Amsterdam, 1989. [all data]

Prochaska and Andrews, 1978
Prochaska, F.T.; Andrews, L., Matrix photoionization studies of trifluoromethyl halide systems. Infrared spectra of the CF3+, CF2X+, and CF3X+ cations in solid argon, J. Am. Chem. Soc., 1978, 100, 7, 2102, https://doi.org/10.1021/ja00475a021 . [all data]

Jacox, 1984
Jacox, M.E., Matrix-isolation study of the decomposition of CF3NNCF3 by photons and by excited rare-gas atom bombardment at energies between 4.9 and 16.8 eV, Chem. Phys., 1984, 83, 1-2, 171, https://doi.org/10.1016/0301-0104(84)85231-3 . [all data]

Halasinski, Godbout, et al., 1994
Halasinski, T.M.; Godbout, J.T.; Allison, J.; Leroi, G.E., Infrared Detection of Matrix-Isolated, Mass-Selected Ions, J. Phys. Chem., 1994, 98, 15, 3930, https://doi.org/10.1021/j100066a004 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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